SCHEMBL3306993

SCHEMBL3306993

Cc1cc(N)n(-c2c(C)cccc2F)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.36
C5AR1 P21730 1/20 0.36
ACHE P22303 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21874531 0.92 CYP1A2 (0.56) CYP1A2CYP2C19MAPK1ALDH1A1MEN1
SCHEMBL11326478 0.88 CYP1A2 (0.59) CYP1A2CYP2C19MAPK1ALDH1A1MEN1
SCHEMBL15428609 0.84 ALDH1A1 (0.49) CYP1A2CYP2C19MAPK1ALDH1A1MEN1
SCHEMBL15428628 0.84 ALDH1A1 (0.49) CYP1A2CYP2C19MAPK1ALDH1A1MEN1
SCHEMBL15428781 0.81 ALDH1A1 (0.46) CYP1A2CYP2C19MAPK1ALDH1A1MEN1
SCHEMBL15428666 0.81 CYP1A2 (0.51) CYP1A2CYP2C19MAPK1ALDH1A1MEN1
SCHEMBL15428712 0.81 CYP1A2 (0.51) CYP1A2CYP2C19MAPK1ALDH1A1MEN1
SCHEMBL15428700 0.78 LMNA (0.51) CYP1A2CYP2C19MAPK1ALDH1A1MEN1
SCHEMBL15428623 0.78 KMT2A (0.41) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL1820891 0.77 CYP1A2 (0.51) CYP1A2CYP2C19MAPK1ALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 575/4885CYP2C19 280/4885MAPK1 116/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 575/4885CYP2C19 280/4885MAPK1 116/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT CYP1A2 53/4885CYP2C19 44/4885MAPK1 4445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.